@MOLECULE (9r)-5,8,9-trihydroxy-5-methyl-9-[(9r,10r,13r,17s)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]decyl bromoacetate (non-preferred name) 68 71 0 0 0 SMALL GASTEIGER @ATOM 1 BR 0.0000 0.0000 0.0000 Br 1 UNL111111 -0.0682 2 O 5.3592 0.0000 0.0000 O.3 1 UNL111111 -0.3837 3 O 5.3363 0.0000 5.1495 O.3 1 UNL111111 -0.2238 4 O 8.6548 1.2582 -2.6069 O.3 1 UNL111111 -0.2284 5 O 5.1814 -2.5717 5.8850 O.3 1 UNL111111 -0.2274 6 O 4.4665 5.2956 -1.2946 O.2 1 UNL111111 -0.2924 7 O 7.7881 4.2744 -4.4501 O.3 1 UNL111111 -0.2283 8 O 5.7753 -6.2236 3.5668 O.3 1 UNL111111 -0.2257 9 O 1.3723 -3.3786 -0.1741 O.3 1 UNL111111 -0.4479 10 O 2.8353 -1.6828 -0.3861 O.2 1 UNL111111 -0.2491 11 C 6.1319 0.7558 2.1423 C.3 1 UNL111111 0.0062 12 C 5.1819 1.0602 0.9311 C.3 1 UNL111111 0.0934 13 C 5.3856 -0.4587 2.7536 C.3 1 UNL111111 0.0027 14 C 7.0538 2.2140 -0.2947 C.3 1 UNL111111 -0.0107 15 C 7.5348 3.5673 -0.8897 C.3 1 UNL111111 -0.0131 16 C 7.5092 0.4644 1.5442 C.3 1 UNL111111 -0.0438 17 C 5.6211 2.2730 0.1542 C.2 1 UNL111111 -0.0310 18 C 3.7716 0.9962 1.5347 C.3 1 UNL111111 -0.0192 19 C 3.8870 -0.0576 2.6562 C.3 1 UNL111111 -0.0439 20 C 8.0260 1.6987 0.7890 C.3 1 UNL111111 -0.0453 21 C 6.4696 4.1381 -1.8546 C.3 1 UNL111111 0.0301 22 C 5.7469 -0.9397 4.1677 C.3 1 UNL111111 0.1447 23 C 6.1879 1.9533 3.0934 C.3 1 UNL111111 -0.0563 24 C 8.8551 3.4021 -1.6705 C.3 1 UNL111111 -0.0144 25 C 4.7588 3.2287 -0.2162 C.2 1 UNL111111 -0.0167 26 C 6.2319 3.2241 -3.0604 C.3 1 UNL111111 -0.0107 27 C 7.7672 4.6101 0.2210 C.3 1 UNL111111 -0.0583 28 C 5.1552 4.3192 -1.1177 C.2 1 UNL111111 0.1598 29 C 8.7380 2.6219 -2.9806 C.3 1 UNL111111 0.1233 30 C 4.8714 -2.1784 4.5605 C.3 1 UNL111111 0.1339 31 C 7.5221 3.0168 -3.8516 C.3 1 UNL111111 0.1234 32 C 7.2335 -1.2342 4.3392 C.3 1 UNL111111 0.0348 33 C 5.1512 -3.4059 3.6923 C.3 1 UNL111111 0.0314 34 C 4.1258 -4.5045 3.9774 C.3 1 UNL111111 0.0327 35 C 4.4618 -5.8028 3.2187 C.3 1 UNL111111 0.1268 36 C 4.5596 -5.6316 1.6905 C.3 1 UNL111111 0.0305 37 C 3.4891 -6.9201 3.6155 C.3 1 UNL111111 0.0329 38 C 3.2413 -5.1839 1.0576 C.3 1 UNL111111 0.0063 39 C 3.4804 -4.6053 -0.3410 C.3 1 UNL111111 0.0475 40 C 2.1688 -4.2205 -1.0154 C.3 1 UNL111111 0.2085 41 C 1.8171 -2.1306 0.0742 C.2 1 UNL111111 0.3287 42 C 0.8526 -1.4390 0.9869 C.3 1 UNL111111 0.1767 43 H 5.5712 -1.3204 2.0581 H 1 UNL111111 0.0337 44 H 7.0723 1.4408 -1.1257 H 1 UNL111111 0.0352 45 H 8.2337 0.1743 2.3231 H 1 UNL111111 0.0272 46 H 7.4453 -0.3981 0.8472 H 1 UNL111111 0.0272 47 H 3.4600 1.9744 1.9360 H 1 UNL111111 0.0296 48 H 3.0218 0.7204 0.7753 H 1 UNL111111 0.0296 49 H 3.2703 -0.9425 2.4434 H 1 UNL111111 0.0270 50 H 3.5363 0.3573 3.6184 H 1 UNL111111 0.0270 51 H 8.9876 1.4413 0.2997 H 1 UNL111111 0.0271 52 H 8.2574 2.4993 1.5143 H 1 UNL111111 0.0271 53 H 6.8177 5.1333 -2.2368 H 1 UNL111111 0.0387 54 H 7.0049 1.8520 3.8146 H 1 UNL111111 0.0236 55 H 6.3583 2.8923 2.5490 H 1 UNL111111 0.0236 56 H 5.2466 2.0787 3.6436 H 1 UNL111111 0.0236 57 H 9.6087 2.9037 -1.0275 H 1 UNL111111 0.0298 58 H 9.2631 4.4077 -1.9030 H 1 UNL111111 0.0298 59 H 3.7174 3.2487 0.0964 H 1 UNL111111 0.0653 60 H 5.4670 3.6814 -3.7253 H 1 UNL111111 0.0299 61 H 5.8264 2.2434 -2.7401 H 1 UNL111111 0.0299 62 H 6.9092 4.6621 0.9019 H 1 UNL111111 0.0235 63 H 8.6538 4.3802 0.8195 H 1 UNL111111 0.0235 64 H 7.9104 5.6140 -0.1955 H 1 UNL111111 0.0235 65 H 9.6766 2.7388 -3.5743 H 1 UNL111111 0.0655 66 H 4.5191 -0.4718 -0.1819 H 1 UNL111111 0.2106 67 H 3.7953 -1.8950 4.5526 H 1 UNL111111 0.0664 68 H 7.3673 2.2673 -4.6613 H 1 UNL111111 0.0655 @BOND 1 68 31 1 2 7 31 1 3 31 26 1 4 31 29 1 5 60 26 1 6 65 29 1 7 26 61 1 8 26 21 1 9 29 4 1 10 29 24 1 11 53 21 1 12 58 24 1 13 21 28 1 14 21 15 1 15 24 57 1 16 24 15 1 17 6 28 2 18 44 14 1 19 28 25 1 20 40 39 1 21 40 9 1 22 15 14 1 23 15 27 1 24 10 41 2 25 39 38 1 26 14 17 1 27 14 20 1 28 25 59 1 29 25 17 2 30 64 27 1 31 66 2 1 32 9 41 1 33 1 42 1 34 2 12 1 35 41 42 1 36 17 12 1 37 27 63 1 38 27 62 1 39 51 20 1 40 48 18 1 41 20 52 1 42 20 16 1 43 46 16 1 44 12 18 1 45 12 11 1 46 38 36 1 47 18 47 1 48 18 19 1 49 16 11 1 50 16 45 1 51 36 35 1 52 43 13 1 53 11 13 1 54 11 23 1 55 49 19 1 56 55 23 1 57 19 13 1 58 19 50 1 59 13 22 1 60 23 56 1 61 23 54 1 62 35 8 1 63 35 37 1 64 35 34 1 65 33 34 1 66 33 30 1 67 22 32 1 68 22 30 1 69 22 3 1 70 67 30 1 71 30 5 1